| SpectraBase Spectrum ID |
7h7E4bWqR5S |
| Name |
Benzamide, 3-trifluoromethyl-N-(5-chloro-2-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.043040785 u |
| Formula |
C15H11ClF3NO2 |
| InChI |
InChI=1S/C15H11ClF3NO2/c1-22-13-6-5-11(16)8-12(13)20-14(21)9-3-2-4-10(7-9)15(17,18)19/h2-8H,1H3,(H,20,21) |
| InChIKey |
NMLNFTYITLNHJQ-UHFFFAOYSA-N |
| Molecular Weight |
329.706 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)NC1=CC(=CC=C1OC)Cl)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90385 |
